silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate

C9H9AgF3IN2O7S — CID 174737043

IUPACsilver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate
SMILESO=C1CCC(=O)N1.O=C1CCC(=O)N1I.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C4H4INO2.C4H5NO2.CHF3O3S.Ag/c5-6-3(7)1-2-4(6)8;6-3-1-2-4(7)5-3;2-1(3,4)8(5,6)7;/h1-2H2;1-2H2,(H,5,6,7);(H,5,6,7);/q;;;+1/p-1
InChIKeyHOBGEYXAFQCVLO-UHFFFAOYSA-M
MW581.01 g/mol
LogP-0.04
Rot. Bonds

About silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate

silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate (PubChem CID 174737043) has the molecular formula C9H9AgF3IN2O7S and a molecular weight of 581.01 g/mol. Its IUPAC name is silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate.

Molecular Properties

Compound Namesilver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate
PubChem CID174737043
Molecular FormulaC9H9AgF3IN2O7S
Molecular Weight581.01 g/mol
Exact Mass579.82
IUPAC Namesilver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate
SMILESO=C1CCC(=O)N1.O=C1CCC(=O)N1I.O=S(=O)([O-])C(F)(F)F.[Ag+]
InChIInChI=1S/C4H4INO2.C4H5NO2.CHF3O3S.Ag/c5-6-3(7)1-2-4(6)8;6-3-1-2-4(7)5-3;2-1(3,4)8(5,6)7;/h1-2H2;1-2H2,(H,5,6,7);(H,5,6,7);/q;;;+1/p-1
InChIKeyHOBGEYXAFQCVLO-UHFFFAOYSA-M
XLogP-0.04
TPSA140.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.01
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

sodium;hydrogen sulfite;1-iodopyrrolidine-2,5-dione
CID 175003776
oxalic acid;bis(pyrrolidine-2,5-dione)
CID 175829217
CID 70395227
CID 70395227
hydron;pyrrolidine-2,5-dione
CID 174652792
CID 170997250
CID 170997250
CID 157384744
CID 157384744
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
1,1,2,2,3,3,4,4,4-nonafluorobutylphosphane;pyrrolidine-2,5-dione
CID 175110172
3-chloropyrrolidine-2,5-dione;1-iodopyrrolidine-2,5-dione
CID 174882632
(5Z)-cycloocta-1,5-diene;palladium(2+);bis(trifluoromethanesulfonate)
CID 173368817
1-hydroxypyrrolidine-2,5-dione;trifluoromethanesulfonic acid
CID 22721506

Frequently Asked Questions

What is the IUPAC name of silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate?
The IUPAC name of silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate (CID 174737043) is silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate.
What is the SMILES notation for silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate?
The canonical SMILES for silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate is O=C1CCC(=O)N1.O=C1CCC(=O)N1I.O=S(=O)([O-])C(F)(F)F.[Ag+].
What is the InChIKey of silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate?
The InChIKey is HOBGEYXAFQCVLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4INO2.C4H5NO2.CHF3O3S.Ag/c5-6-3(7)1-2-4(6)8;6-3-1-2-4(7)5-3;2-1(3,4)8(5,6)7;/h1-2H2;1-2H2,(H,5,6,7);(H,5,6,7);/q;;;+1/p-1.
What are the key properties of silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate?
silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate has a molecular weight of 581.01 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for silver;1-iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione;trifluoromethanesulfonate is sourced from PubChem (CID 174737043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).